5-Hexyl-5-hydroxy-3,4-dimethylfuran-2(5H)-one
TL;DR: 5-Hexyl-5-hydroxy-3,4-dimethylfuran-2(5H)-one (CAS 6066-54-2) is a chemical compound with molecular formula C12H20O3 and molecular weight 212.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hexyl-5-hydroxy-3,4-dimethylfuran-2-one
Also Known As: 5-hexyl-5-hydroxy-3,4-dimethylfuran-2-one, 5-Hexyl-5-hydroxy-3,4-dimethylfuran-2(5H)-one, 5-hexyl-5-hydroxy-3,4-dimethyl-furan-2-one
| Molecular Formula | C12H20O3 |
|---|---|
| Molecular Weight | 212.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 212.14125 |
| Heavy Atoms | 15 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 6066-54-2 |
|---|---|
| SMILES | CCCCCCC1(C(=C(C(=O)O1)C)C)O |
| InChIKey | FOFRUZHXHDWQHC-UHFFFAOYSA-N |
Product Overview
5-Hexyl-5-hydroxy-3,4-dimethylfuran-2(5H)-one (CAS 6066-54-2), with molecular formula C12H20O3 and molecular weight 212.14 g/mol. IUPAC: 5-hexyl-5-hydroxy-3,4-dimethylfuran-2-one.
Chemical Property Profile of 5-Hexyl-5-hydroxy-3,4-dimethylfuran-2(5H)-one
Property Insights of 5-Hexyl-5-hydroxy-3,4-dimethylfuran-2(5H)-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hexyl-5-hydroxy-3,4-dimethylfuran-2(5H)-one. With a topological polar surface area (TPSA) of 46.5 Ų, 5-Hexyl-5-hydroxy-3,4-dimethylfuran-2(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Hexyl-5-hydroxy-3,4-dimethylfuran-2(5H)-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Hexyl-5-hydroxy-3,4-dimethylfuran-2(5H)-one?
The CAS number of 5-Hexyl-5-hydroxy-3,4-dimethylfuran-2(5H)-one is 6066-54-2.
What is the molecular formula of 5-Hexyl-5-hydroxy-3,4-dimethylfuran-2(5H)-one?
The molecular formula of 5-Hexyl-5-hydroxy-3,4-dimethylfuran-2(5H)-one is C12H20O3.
What is the molecular weight of 5-Hexyl-5-hydroxy-3,4-dimethylfuran-2(5H)-one?
The molecular weight of 5-Hexyl-5-hydroxy-3,4-dimethylfuran-2(5H)-one is 212.14 g/mol.
Where can I buy 5-Hexyl-5-hydroxy-3,4-dimethylfuran-2(5H)-one?
You can request a quote for 5-Hexyl-5-hydroxy-3,4-dimethylfuran-2(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hexyl-5-hydroxy-3,4-dimethylfuran-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Hexyl-5-hydroxy-3,4-dimethylfuran-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.